[(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane

C32H50O4SSi — CID 11421605

IUPAC[(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CC(C[C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H50O4SSi/c1-26(15-13-17-29-20-21-35-25-29)14-12-16-27(2)22-31(37(33,34)30-18-10-9-11-19-30)23-28(3)24-36-38(7,8)32(4,5)6/h9-11,15-16,18-21,25,28,31H,12-14,17,22-24H2,1-8H3/b26-15+,27-16+/t28-,31?/m0/s1
InChIKeyCZMVMIVSXLUURK-VZLDKNRUSA-N
MW558.90 g/mol
LogP9.17
Rot. Bonds15

About [(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane

[(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 11421605) has the molecular formula C32H50O4SSi and a molecular weight of 558.90 g/mol. Its IUPAC name is [(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane
PubChem CID11421605
Molecular FormulaC32H50O4SSi
Molecular Weight558.90 g/mol
Exact Mass558.32
IUPAC Name[(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CC(C[C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H50O4SSi/c1-26(15-13-17-29-20-21-35-25-29)14-12-16-27(2)22-31(37(33,34)30-18-10-9-11-19-30)23-28(3)24-36-38(7,8)32(4,5)6/h9-11,15-16,18-21,25,28,31H,12-14,17,22-24H2,1-8H3/b26-15+,27-16+/t28-,31?/m0/s1
InChIKeyCZMVMIVSXLUURK-VZLDKNRUSA-N
XLogP9.17
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.90
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane (CID 11421605) is [(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane is C/C(=C\CCc1ccoc1)CC/C=C(\C)CC(C[C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is CZMVMIVSXLUURK-VZLDKNRUSA-N. The full InChI is InChI=1S/C32H50O4SSi/c1-26(15-13-17-29-20-21-35-25-29)14-12-16-27(2)22-31(37(33,34)30-18-10-9-11-19-30)23-28(3)24-36-38(7,8)32(4,5)6/h9-11,15-16,18-21,25,28,31H,12-14,17,22-24H2,1-8H3/b26-15+,27-16+/t28-,31?/m0/s1.
What are the key properties of [(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane?
[(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 558.90 g/mol, XLogP of 9.17, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11421605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).